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Bovine Metabolome Database



Showing metabocard for Cytidine triphosphate (BMDB00082)

Legend: metabolite field enzyme field

Version 1.0
Creation Date 2005-11-16 15:48:42
Update Date 2009-05-05 20:57:40
Accession Number BMDB00082
Common Name Cytidine triphosphate
Description Cytidine 5'-(tetrahydrogen triphosphate) or CTP is a cytosine nucleotide containing three phosphate groups esterified to a ribose moiety at the 5' position. CTP is integral to the synthesis or mRNA, rRNA and tRNA through RNA polymerases. Cytidine triphosphate (CTP) is also critical to the synthesis of phosphatidylcholine via the enzyme CTP: phosphocholine cytidyltransferase. This reaction is the rate-limiting step in the synthesis of phosphatidylcholine.
Synonyms
  1. cytidine 5'-(tetrahydrogen triphosphate)
  2. Deoxycytosine triphosphate
  3. Cytidine mono(tetrahydrogen triphosphate) (ester)
  4. cytidine-5'-triphosphate
  5. H4ctp
  6. Cytidine 5'-triphosphate
  7. 5'-(tetrahydrogen triphosphate) cytidine
  8. Cytidine 5-Prime-Triphosphate
  9. CTP
  10. Cytidine 5'-triphosphoric acid
  11. Cytidine 3'-triphosphate
  12. 5'-CTP
  13. Cytidine Triphosphate
  14. Cytidine mono
  15. Cytidine triphosphic acid
Chemical IUPAC Name [[[5-(4-amino-2-oxo-pyrimidin-1-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxyphosphonic acid
Chemical Formula C9H16N3O14P3
Chemical Structure Structure
Chemical Taxonomy
Kingdom
  • Organic
Super Class
  • Nucleosides and Nucleoside conjugates
Class
  • Nucleotides
Sub Class
  • Nucleotide triphosphates
Family
  • Mammalian_Metabolite
Species
  • secondary alcohol; 1,2-diol; primary amine; primary aromatic amine; oxo(het)arene; phosphoric acid ester; aromatic compound; heterocyclic compound
Biofunction
  • Component of Aminophosphonate metabolism; Component of Aminosugars metabolism; Component of Glycerophospholipid metabolism; Component of Pyrimidine metabolism
Application
Source
  • Endogenous
Average Molecular Weight 483.156
Monoisotopic Molecular Weight 482.984497
Isomeric SMILES NC1=NC(=O)N(C=C1)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O
Canonical SMILES NC1=NC(=O)N(C=C1)C1OC(COP(O)(=O)OP(O)(=O)OP(O)(O)=O)C(O)C1O
KEGG Compound ID C00063 Link Image
BioCyc ID CTP Link Image
BiGG ID 33710 Link Image
Wikipedia Link Cytidine triphosphate Link Image
METLIN ID 5136 Link Image
PubChem Compound 6176 Link Image
PubChem Substance 14716334 Link Image
ChEBI ID 17677 Link Image
CAS Registry Number 65-47-4
InChI Identifier InChI=1/C9H16N3O14P3/c10-5-1-2-12(9(15)11-5)8-7(14)6(13)4(24-8)3-23-28(19,20)26-29(21,22)25-27(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,21,22)(H2,10,11,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1
Synthesis Reference Simon, Ethan S.; Bednarski, Mark D.; Whitesides, George M. Synthesis of CMP-NeuAc from N-acetylglucosamine: generation of CTP from CMP using adenylate kinase. Journal of the American Chemical Society (1988), 110(21), 7159-63.
Melting Point (Experimental) 215-218 oC
Experimental Water Solubility Not Available Source: PhysProp
Predicted Water Solubility 11.2 mg/mL [Predicted by ALOGPS] Calculated using ALOGPS
Physiological Charge -4
State Solid
Experimental LogP/Hydrophobicity Not Available Source: PhysProp
Predicted LogP/Hydrophobicity -0.34 [Predicted by ALOGPS]; -6.7 [Predicted by PubChem via XLOGP] Calculated using ALOGPS
Material Safety Data Sheet (MSDS) Not Available
MOL File Show
SDF File Show
PDB File Show
2D Structure
3D Structure
Experimental PDB ID Not Available
Experimental 1H NMR Spectrum Download Spectrum
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Experimental 13C NMR Spectrum Not Available
Experimental 13C HSQC Spectrum Download Spectrum
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Predicted 1H NMR Spectrum Show Image
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Predicted 13C NMR Spectrum Show Image
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Mass Spectrum
Low Energy
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Medium Energy
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High Energy
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Simplified TOCSY Spectrum Show Image
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BMRB Spectrum Show Image
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Cellular Location
  • Nucleus
  • Cytoplasm
  • mitochondria
Biofluid Location Not Available
Tissue Location
Tissue References
All Tissues
Concentrations (Normal) Not Available
Concentrations (Abnormal) Not Available
Pathway Names
  • Pyrimidine Metabolism
  • Transcription Translation
HMDB Pathways
Name Pyrimidine Metabolism
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Name Transcription Translation
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KEGG Pathways
Name Pyrimidine Metabolism
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SimCell Pathways
Name Pyrimidine Metabolism
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Graph
SBML
General References
  1. Wikipedia Link Image